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HDAC1/5-IN-1

CAT: 0931-T50084-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T50084-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
380463-49-0
Target
Others
Related Pathways
Others
Purity
0.96446
Bioactivity
(2E) -N- (4-methoxyphenyl) -3-[3- (4-methylphenyl) -1-phenyl-1H-pyrazol-4-yl]prop-2-enamide is a compound used as a molecular structural unit.
Smiles
C(=CC(NC1=CC=C(OC)C=C1)=O)C=2C(=NN(C2)C3=CC=CC=C3)C4=CC=C(C)C=C4
Molecular Formula
C26H23N3O2
Molecular Weight
409.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2E)-N-(4-methoxyphenyl)-3-(3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)prop-2-enamide
CAS Number380463-49-0
PubChem CID1341638
IUPAC Name(E)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
Molecular FormulaC26H23N3O2
Molecular Weight409.5
XLogP5.1
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity587
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)NC3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C26H23N3O2/c1-19-8-10-20(11-9-19)26-21(18-29(28-26)23-6-4-3-5-7-23)12-17-25(30)27-22-13-15-24(31-2)16-14-22/h3-18H,1-2H3,(H,27,30)/b17-12+
InChIKey
NIJMJFICBBEJPP-SFQUDFHCSA-N
Chemical Structure
2D Structure
2D structure of (2E)-N-(4-methoxyphenyl)-3-(3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)prop-2-enamide
CAS: 380463-49-0
CID: 1341638
Formula: C26H23N3O2
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass409.17902698
Monoisotopic Mass409.17902698
Topological Polar Surface Area56.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity587
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-144725HDAC1/6-IN-1
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GTR19260938-01HDAC1 Degrader-1
HY-156444HDAC1/CDK7-IN-1
036473HDAC1, CT (HDAC1, RPD3L1, Histone deacetylase 1)
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